N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide

C19H13N3OS2 — CID 3442954

IUPACN-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc12
InChIInChI=1S/C19H13N3OS2/c23-17(14-9-5-7-12-6-1-2-8-13(12)14)21-18(24)22-19-20-15-10-3-4-11-16(15)25-19/h1-11H,(H2,20,21,22,23,24)
InChIKeyQZWQPAKDPCUSFB-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.58
Rot. Bonds2

About N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide

N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide (PubChem CID 3442954) has the molecular formula C19H13N3OS2 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide
PubChem CID3442954
Molecular FormulaC19H13N3OS2
Molecular Weight363.47 g/mol
Exact Mass363.05
IUPAC NameN-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc12
InChIInChI=1S/C19H13N3OS2/c23-17(14-9-5-7-12-6-1-2-8-13(12)14)21-18(24)22-19-20-15-10-3-4-11-16(15)25-19/h1-11H,(H2,20,21,22,23,24)
InChIKeyQZWQPAKDPCUSFB-UHFFFAOYSA-N
XLogP4.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 1421918
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 54859148
N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]naphthalene-1-carboxamide
CID 4302130
N-(1,3-benzothiazol-2-ylcarbamothioyl)-2-methylpropanamide
CID 17099689
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-triethoxybenzamide
CID 1339348
N-[1-(1,3-benzothiazol-2-ylamino)-2,2,2-trichloroethyl]naphthalene-1-carboxamide
CID 18879602
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
N-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 17113970
N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide
CID 2235183
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-chloro-4-methoxybenzamide
CID 1139259
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide
CID 4213163

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide (CID 3442954) is N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide is O=C(NC(=S)Nc1nc2ccccc2s1)c1cccc2ccccc12.
What is the InChIKey of N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide?
The InChIKey is QZWQPAKDPCUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS2/c23-17(14-9-5-7-12-6-1-2-8-13(12)14)21-18(24)22-19-20-15-10-3-4-11-16(15)25-19/h1-11H,(H2,20,21,22,23,24).
What are the key properties of N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide?
N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 4.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide is sourced from PubChem (CID 3442954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).